-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA256 Format: 1.8 Date: Fri, 04 Mar 2022 01:38:54 +0100 Source: nwchem Binary: nwchem nwchem-data nwchem-mpich nwchem-mpich-dbgsym nwchem-openmpi nwchem-openmpi-dbgsym Architecture: source all amd64 Version: 7.0.2-2 Distribution: experimental Urgency: medium Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org> Changed-By: Drew Parsons <dparsons@debian.org> Description: nwchem - High-performance computational chemistry software (default MPI) nwchem-data - High-performance computational chemistry software (data files) nwchem-mpich - High-performance computational chemistry software (MPICH build) nwchem-openmpi - High-performance computational chemistry software (OpenMPI build) Closes: 1005951 Changes: nwchem (7.0.2-2) experimental; urgency=medium . [ Andrius Merkys ] * Team upload. * Adjusting debian/watch to changes in URL scheme. . [ Edoardo Apra ] * Website moved to GitHub. . [ Drew Parsons ] * build against both openmpi and mpich, provided in nwchem-openmpi and nwchem-mpich packages. - mpich is needed to run multi-node jobs. Closes: #1005951. - nwchem package provides an nwchem symlink to the executable for the default MPI - Build-Depends: libmpich-dev, libopenmpi-dev, libarmci-mpi-dev (>= 0.3.1~beta-2~), libglobalarrays-dev (>= 5.8.1-4~) libscalapack-mpich-dev (>= 2), libscalapack-openmpi-dev (>= 2), - set nwchem-openmpi, nwchem-mpich Multi-Arch: allowed * run debian/tests using an optimized BLAS library where possible (openblas | atlas | blis | other) * Standards-Version: 4.6.0 * debhelper compatibility level 13 - Build-Depends: debhelper-compat (= 13) - drop deprecated dh options (autotools_dev addon, --parallel) * mark nwchem-data as Multi-Arch: foreign * update debian/rules for python3 * debian patch ga_libs.patch uses ga-config to generate list of ga (global array) libs (else use -lga -larmci) * debian patch detect_mpi.patch checks MPI environment variables when guessing the MPI installation Checksums-Sha1: fa6cc9e9c9338da6f1f38b15ead907bfcf54467c 2583 nwchem_7.0.2-2.dsc 9914c4d9f9f374a99310f87bdc8701b38e7ce9ae 21960 nwchem_7.0.2-2.debian.tar.xz 78010de76cf88f7474ef437951c69a86a0662755 6130668 nwchem-data_7.0.2-2_all.deb c11bf7e4081d95893f659ab103bf6902e2c5d8ea 24357788 nwchem-mpich-dbgsym_7.0.2-2_amd64.deb bacffb874d9d454d23851e63d4e8f63231df2183 12249872 nwchem-mpich_7.0.2-2_amd64.deb 42237d1b17a2aac276ebf363ffb52a43546bb029 24360768 nwchem-openmpi-dbgsym_7.0.2-2_amd64.deb b2ddfc6b06035e5bddc33bb445fab67997ee9123 12248372 nwchem-openmpi_7.0.2-2_amd64.deb d51f0ee356ce01985ad91cb1cf77fb3581a2b671 26100 nwchem_7.0.2-2_all.deb ab7eaaf15b35b842ca9577ced1d5e62c939fb0d8 10737 nwchem_7.0.2-2_amd64.buildinfo Checksums-Sha256: bbe032fab9893a6f1e3c40584d4c8e7451ac14f161a255f9ccd123af9a5af06d 2583 nwchem_7.0.2-2.dsc 8b5e4a4ca175fe32c22a02abccac9082cf09fac8a4fae135cfe9275499fc51e4 21960 nwchem_7.0.2-2.debian.tar.xz 2c6f8cb18850907b26efc39fec9926518ac68c355c97be628ec55566814d82a6 6130668 nwchem-data_7.0.2-2_all.deb c2aa0d6d448755d19cbde14cbe98cacaebec4de6bbeb09116e4851ae861b7be1 24357788 nwchem-mpich-dbgsym_7.0.2-2_amd64.deb 2c95771b0738789b7e1ff424da1f9ac8f13d3704fd201b78c3bc761c263e18d7 12249872 nwchem-mpich_7.0.2-2_amd64.deb 40dbc1ec570ee6e8121d4ff9332b76c389f326f50a9443bfed00c921f48b6d6b 24360768 nwchem-openmpi-dbgsym_7.0.2-2_amd64.deb a0654bacecd4aa98aedd7c5e50757d2bda0a51c06a9b8e89ce3276b030e4f08b 12248372 nwchem-openmpi_7.0.2-2_amd64.deb c83cefa018daeaa00c58204b8849275752ccc5b0c4c2c48723014c60c33eeab6 26100 nwchem_7.0.2-2_all.deb f18523a2b9f15cbce2a7c22b2c6e1bc70bad14fb7ae12921a6a75f869385e9eb 10737 nwchem_7.0.2-2_amd64.buildinfo Files: 5a6db4b3d04fb3a0d82719914b9e656b 2583 science optional nwchem_7.0.2-2.dsc 43edba581c67eb86eb2fb4eab09bef7c 21960 science optional nwchem_7.0.2-2.debian.tar.xz 044d6f3fe24c5f9484daf4ed9788c04b 6130668 science optional nwchem-data_7.0.2-2_all.deb 56232aedae4b90aebb2d9060d3c24fc4 24357788 debug optional nwchem-mpich-dbgsym_7.0.2-2_amd64.deb 32f258620f604745b9e9666a36df17bc 12249872 science optional nwchem-mpich_7.0.2-2_amd64.deb be5b9744b20646ad0ccf5c795969652b 24360768 debug optional nwchem-openmpi-dbgsym_7.0.2-2_amd64.deb 9086c8ea1223cbc4fb9e40d6e25bb35c 12248372 science optional nwchem-openmpi_7.0.2-2_amd64.deb ececda18a1a5cc889809186fbe1fe4d1 26100 science optional nwchem_7.0.2-2_all.deb 4fed328e690dac530ef24bd7be41346c 10737 science optional nwchem_7.0.2-2_amd64.buildinfo -----BEGIN PGP SIGNATURE----- iQIzBAEBCAAdFiEEI8mpPlhYGekSbQo2Vz7x5L1aAfoFAmIh2uIACgkQVz7x5L1a AfpaCxAAk533D00ZOkUF2XeXjfREGATT3Ikh5Ehusq1PFcShFty7kWkzGNaVhxZR y6SFMif4MK/yfVQ0X3TAFM+5TqnIEKLlxpsTzIu+RCwKrYn3RU+TNvr8bqTqZCCB Zq5YM/nt3Y90/nxhaYWdDjmVS3u5C3zz5x05fHX8x4yvbXZZ0KVVcVYqWV6gTe61 ie49RIFbJdHH5E5U4qKVNaoIXYG1LqTTZni5soR40Hwrku4K2ga4sUmbV+jN3XkB RjOKUxjUVSbrly9zwKX/dx2qQ4d/uKWfN+FFOlcEPtpDdNcCUAuc+eea5Fw7iNjg 9p26VHTOckz+h0igkzoEwOxY5m8Vq9xHRSy5Se08Iwuxk7Z1nZy2AxFjD9V28BT2 d4h+bBZmvole3idEguKjAEx5tBuippxhekUQxOrM2qp3xFahTA40vRniZxmPnXCj HGvqe4YvDwSI9CiwtqNDFkqQvvMq3e9l1X+0+KfK+6y7bBUC1LNF7ZA2GXqYE84J dO/pZ9L46ZWkj1OIdw8QFHBKS8LOTBt1XU25MUzOFRz1BrWIqMM3MUOeQUsE0erV YA4HWm6Qrv05N1wyTR0sZWPZ8YVt3OBBd7PXsV8wJ59c8gf7jqKTMufGipM2C9yK rHdHyT8qGbIDVLqP3jmn5I8Yv/cIl7ADB6jnwG+VXwKbvAz1xRU= =sT7D -----END PGP SIGNATURE-----
