| Port details |
- py-pyscf Python module for quantum chemistry
- 2.0.1_1 science
 =0      2.0.1_1Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2021-06-05 20:03:12
- Last Update: 2022-01-13 04:40:22
- Commit Hash: dc1215f
- Also Listed In: python
- License: BSD2CLAUSE
- Description:
- PyMOL is a Python-enhanced molecular graphics tool. It excels at
3D visualization of proteins, small molecules, density, surfaces,
and trajectories. It also includes molecular editing, ray tracing,
and movies. Open Source PyMOL is free to everyone!
WWW: https://www.pymol.org/
- SVNWeb : git : Homepage
- pkg-plist: as obtained via:
make generate-plist - There is no configure plist information for this port.
- Dependency lines:
-
- ${PYTHON_PKGNAMEPREFIX}pyscf>0:science/py-pyscf@${PY_FLAVOR}
- To install the port:
- cd /usr/ports/science/py-pyscf/ && make install clean
- To add the package, run one of these commands:
- pkg install science/py-pyscf
- pkg install py38-pyscf
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.NOTE: This is a Python port. Instead of py38-pyscf listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py38-pyscf
- Package flavors (<flavor>: <package>)
- distinfo:
- TIMESTAMP = 1642041457
SHA256 (pyscf-pyscf-v2.0.1_GH0.tar.gz) = 6a152860787351aae52dc1ef2399bd9564fa314dca070312cfc0f2c3fc7412cf
SIZE (pyscf-pyscf-v2.0.1_GH0.tar.gz) = 9641485
- Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- py38-numpy>=1.16,1<1.21,1 : math/py-numpy@py38
- py38-scipy>0 : science/py-scipy@py38
- py38-h5py>0 : science/py-h5py@py38
- cmake : devel/cmake
- gmake : devel/gmake
- gfortran10 : lang/gcc10
- py38-setuptools>0 : devel/py-setuptools@py38
- python3.8 : lang/python38
- as : devel/binutils
- Runtime dependencies:
-
- py38-numpy>=1.16,1<1.21,1 : math/py-numpy@py38
- py38-scipy>0 : science/py-scipy@py38
- py38-h5py>0 : science/py-h5py@py38
- gfortran10 : lang/gcc10
- py38-setuptools>0 : devel/py-setuptools@py38
- python3.8 : lang/python38
- Library dependencies:
-
- libcint.so : science/libcint
- libxc.so : science/libxc
- libxcfun.so : science/xcfun
- libopenblas.so : math/openblas
- This port is required by:
- for Build
-
- science/qmcpack
- for Run
-
- science/qmcpack
- Configuration Options:
- No options to configure
- Options name:
- science_py-pyscf
- USES:
- fortran blaslapack:openblas compiler:c++11-lang python
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
| Commit History - (may be incomplete: see SVNWeb link above for full details) |
| Date | By | Description |
|---|
13 Jan 2022 04:40:22
  2.0.1_1
|
Yuri Victorovich (yuri) |
science/py-pyscf: Unbreak fetch
The tarball changed by 12 bytes for no apparent reason.
Reported by: fallout |
26 Dec 2021 20:21:24
2.0.1_1
|
Yuri Victorovich (yuri) |
science/libcint: Update 4.4.6 -> 5.1.0
Bump science/py-pyscf and add libcint compatibility patch.
Reported by: portscout |
16 Nov 2021 22:41:36
2.0.1
|
Yuri Victorovich (yuri) |
science/py-pyscf: Update 2.0.0a-103 -> 2.0.1
Reported by: portscout |
05 Jun 2021 20:01:38
2.0.0.a.103
|
Yuri Victorovich (yuri) |
science/py-pyscf: New port: Python module for quantum chemistry |
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